SCHEMBL23398661

SCHEMBL23398661

CCCCc1c(O)c(C)nn1-c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.48
LMNA P02545 1/20 0.43
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CA9 Q16790 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 3/20 0.39
POLB P06746 1/20 0.39
NPBWR1 P48145 1/20 0.38
OPRM1 P35372 1/20 0.38
KMT2A Q03164 2/20 0.38
SMO Q99835 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23398410 0.92 PDE4D (0.50) PDE4DLMNAPTGS1PTGS2KDM4E
SCHEMBL23400516 0.86 PDE4D (0.40) PDE4DLMNAPTGS1PTGS2KDM4E
SCHEMBL23400756 0.86 ALDH1A1 (0.39) LMNAKDM4ECA9NPC1RAB9A
SCHEMBL23403226 0.85 PDE4D (0.39) PDE4DLMNAPTGS1PTGS2KDM4E
SCHEMBL23401230 0.85 PDE4D (0.43) PDE4DLMNAPTGS1PTGS2ALDH1A1
SCHEMBL23400157 0.84 PDE4D (0.42) PDE4DLMNAPTGS1PTGS2KDM4E
SCHEMBL23401369 0.84 PDE4D (0.42) PDE4DLMNAPTGS1PTGS2KDM4E
SCHEMBL23398691 0.83 CNR1 (0.38) PDE4DLMNAPTGS1PTGS2ALDH1A1
SCHEMBL23398432 0.83 POLB (0.49) PDE4DLMNAKDM4ENPC1RAB9A
SCHEMBL23399978 0.83 PDE4D (0.41) PDE4DLMNAPTGS1PTGS2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed